N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CN=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CN=CC=C3)N

InChI

InChI=1S/C17H15N5O2S/c18-14-13(20-15(23)12-6-2-1-3-7-12)16(24)22-17(21-14)25-10-11-5-4-8-19-9-11/h1-9H,10H2,(H,20,23)(H3,18,21,22,24)